Information card for entry 2012615

Structure parameters

• Chemical name: Triaqua-(2,4,6-tris(2-Pyridyl)-1,3,5-triazine-N,N',N")nickel(II), dinitrate, trihydrate
• Formula: C18 H24 N8 Ni O12
• Calculated formula: C18 H24 N8 Ni O12
• SMILES: [Ni]12([OH2])([OH2])([OH2])[n]3ccccc3c3[n]1c(nc(n3)c1ncccc1)c1[n]2cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O
• Title of publication: Two nickel complexes stabilized by nitrate counter-ions
• Authors of publication: Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m221 - m224
• a: 12.328 ± 0.002 Å
• b: 14.851 ± 0.003 Å
• c: 14.124 ± 0.003 Å
• α: 90°
• β: 100.06 ± 0.03°
• γ: 90°
• Cell volume: 2546.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No